4-[(4-bromophenyl)methoxy]pentan-1-amine

C12H18BrNO — CID 82831924

IUPAC4-[(4-bromophenyl)methoxy]pentan-1-amine
SMILESCC(CCCN)OCc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-10(3-2-8-14)15-9-11-4-6-12(13)7-5-11/h4-7,10H,2-3,8-9,14H2,1H3
InChIKeySFVYMPFEHIGDHV-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.09
Rot. Bonds6

About 4-[(4-bromophenyl)methoxy]pentan-1-amine

4-[(4-bromophenyl)methoxy]pentan-1-amine (PubChem CID 82831924) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]pentan-1-amine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]pentan-1-amine
PubChem CID82831924
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name4-[(4-bromophenyl)methoxy]pentan-1-amine
SMILESCC(CCCN)OCc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-10(3-2-8-14)15-9-11-4-6-12(13)7-5-11/h4-7,10H,2-3,8-9,14H2,1H3
InChIKeySFVYMPFEHIGDHV-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 62445906
2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine
CID 102987139
N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine
CID 82825259
2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine
CID 82828053
4-(4-bromo-2-methylphenoxy)pentan-1-amine
CID 63217030
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine
CID 82825959
1-bromo-4-[[(2R,3R)-1,4-dibromo-3-[(4-bromophenyl)methoxy]butan-2-yl]oxymethyl]benzene
CID 132518009
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine
CID 82352700
1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
CID 82828300

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]pentan-1-amine?
The IUPAC name of 4-[(4-bromophenyl)methoxy]pentan-1-amine (CID 82831924) is 4-[(4-bromophenyl)methoxy]pentan-1-amine.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]pentan-1-amine?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]pentan-1-amine is CC(CCCN)OCc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]pentan-1-amine?
The InChIKey is SFVYMPFEHIGDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-10(3-2-8-14)15-9-11-4-6-12(13)7-5-11/h4-7,10H,2-3,8-9,14H2,1H3.
What are the key properties of 4-[(4-bromophenyl)methoxy]pentan-1-amine?
4-[(4-bromophenyl)methoxy]pentan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]pentan-1-amine is sourced from PubChem (CID 82831924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).